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Compound Detail

CHEMBL5185252

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CN(C)c1ccc(/C=C/C=C/C=C/C=C(C#N)C#N)cn1

Basic Information

ChEMBL ID CHEMBL5185252
Phase Preclinical
Structure Type MOL
InChI Key ASOFHUPRAJLMRG-OKWWDJPNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.25
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4
MW 276.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.62

Activity Summary

Ki 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.03 7.03 92.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 92.6 nM 7.03 Binding affinity to amyloid beta (unknown origin) 35759679

Literature References

PubMed DOI Target Context # Activities
35759679 10.1021/acs.jmedchem.1c01619 Unchecked 1

Data from ChEMBL 36 via Core Engine